Effects of Strongly Perturbating Auxochromes on the Intensity of the Secondary Transition of the Benzene Chomophore. the Phenolate Anions

Abstract

The Interaction Vector Model (IVM) is used to study the intensity of the near UV transition of phenolates. Thirteen phenolates have been studied using the phenolate anion as a reference. The modulus of the-O⁻⇔-CH₃ ortho interaction vector has been adapted to an unusual strong interaction. The π donating effect of-O⁻tends to blur the smaller π donating effect of the methyl substituents, and tends to quench the effect on intensity of the methyl in the para position.

Notes

American Petroleum Institute, Research Project 44. a) spectrum 430, b) spectrum 432, c) spectrum 669, d) spectrum 440, e) spectrum 241, f) 239, g) 243